NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.62
Van der Waals volume 299.64
Polar Surface Area 91.29
Van der Waals Surface Area 468.64
Refractivity 89.05

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ELEMENTAL PROPERTIESExact Mass 356.09
Isotope Formula C19H16O7
Dot Disconnected Formula C19H16O7
Dot Disconnected Isotope Formula C19H16O7
Composition C (64.04%), H (4.53%), O (31.43%)
Isotope Composition C (64.04%), H (4.53%), O (31.43%)
Donor Sites 1
Donor Count 1
Acceptor Sites 9
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 14
Aliphatic Bond Count 17
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 45
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 1
Ring Atom Count 18
Ring Bond Count 20
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 2

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.